SCHEMBL5369831

SCHEMBL5369831

Cc1ccccc1Nc1nnn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
METAP2 P50579 9/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK10 P53779 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TNKS O95271 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30955215 0.78 MAPT (0.56) KMT2AMAPTHPGDMAPK10L3MBTL1
SCHEMBL9206595 0.77 ALDH1A1 (0.37) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL2836274 0.73 MEN1 (0.46) KMT2AMEN1METAP2MAPTHPGD
SCHEMBL4974399 0.72 MAPT (0.43) KMT2AMEN1ADRA2AADRA2CADRA1D
SCHEMBL6320333 0.71 ADRA2C (0.49) KMT2AMEN1ADRA2BADRA2CMAPT
SCHEMBL183017 0.71 HTT (0.59) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL1239469 0.71
SCHEMBL29511793 0.71 HTT (0.59) KMT2AMEN1ADRA2AADRA2BADRA2C
SCHEMBL8824762 0.70 MAPT (0.37) KMT2AMEN1MAPTLMNA
SCHEMBL15087184 0.69 ADRA2A (0.64) KMT2AMEN1METAP2ADRA2AADRA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO disclosed